# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb36021 # _entry.id spkb36021 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ARG 2 1 n TRP 3 1 n LEU 4 1 n ILE 5 1 n TRP 6 1 n THR 7 1 n ALA 8 1 n VAL 9 1 n SER 10 1 n THR 11 1 n LEU 12 1 n VAL 13 1 n MET 14 1 n LEU 15 1 n LEU 16 1 n ALA 17 1 n MET 18 1 n THR 19 1 n GLU 20 1 n VAL 21 1 n SER 22 1 n ALA 23 1 n SER 24 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-09 18:37:44)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 92.24 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 85.38 1 1 A ARG 2 2 81.71 1 2 A TRP 3 2 88.42 1 3 A LEU 4 2 94.18 1 4 A ILE 5 2 95.14 1 5 A TRP 6 2 91.97 1 6 A THR 7 2 96.67 1 7 A ALA 8 2 98.20 1 8 A VAL 9 2 97.29 1 9 A SER 10 2 96.02 1 10 A THR 11 2 96.08 1 11 A LEU 12 2 95.20 1 12 A VAL 13 2 97.83 1 13 A MET 14 2 92.05 1 14 A LEU 15 2 95.67 1 15 A LEU 16 2 94.99 1 16 A ALA 17 2 97.73 1 17 A MET 18 2 90.95 1 18 A THR 19 2 94.53 1 19 A GLU 20 2 88.94 1 20 A VAL 21 2 95.23 1 21 A SER 22 2 91.01 1 22 A ALA 23 2 90.47 1 23 A SER 24 2 81.58 1 24 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ARG . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n SER . 24 A 24 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 3.241 18.536 11.215 1.00 92.37 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.561 17.851 10.098 1.00 93.11 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.270 16.536 9.765 1.00 94.10 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.009 16.454 8.783 1.00 90.95 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.561 18.743 8.857 1.00 88.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.999 20.127 9.138 1.00 81.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.107 21.178 7.678 1.00 76.48 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.845 22.779 8.418 1.00 66.21 1 A 1 ATOM 9 N N . ARG A 1 2 ? 3.076 15.523 10.587 1.00 93.84 2 A 1 ATOM 10 C CA . ARG A 1 2 ? 3.712 14.222 10.372 1.00 94.91 2 A 1 ATOM 11 C C . ARG A 1 2 ? 2.710 13.170 9.898 1.00 95.95 2 A 1 ATOM 12 O O . ARG A 1 2 ? 3.081 12.027 9.656 1.00 94.84 2 A 1 ATOM 13 C CB . ARG A 1 2 ? 4.368 13.753 11.670 1.00 92.18 2 A 1 ATOM 14 C CG . ARG A 1 2 ? 5.866 13.955 11.652 1.00 82.18 2 A 1 ATOM 15 C CD . ARG A 1 2 ? 6.248 15.244 12.378 1.00 80.43 2 A 1 ATOM 16 N NE . ARG A 1 2 ? 7.192 16.025 11.597 1.00 72.10 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? 8.458 15.677 11.399 1.00 68.72 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? 8.956 14.564 11.919 1.00 62.55 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? 9.240 16.449 10.671 1.00 61.07 2 A 1 ATOM 20 N N . TRP A 1 3 ? 1.443 13.564 9.762 1.00 95.66 3 A 1 ATOM 21 C CA . TRP A 1 3 ? 0.411 12.623 9.330 1.00 96.43 3 A 1 ATOM 22 C C . TRP A 1 3 ? 0.451 12.405 7.815 1.00 97.32 3 A 1 ATOM 23 O O . TRP A 1 3 ? 0.055 11.352 7.320 1.00 96.35 3 A 1 ATOM 24 C CB . TRP A 1 3 ? -0.969 13.135 9.745 1.00 95.05 3 A 1 ATOM 25 C CG . TRP A 1 3 ? -2.014 12.071 9.687 1.00 89.87 3 A 1 ATOM 26 C CD1 . TRP A 1 3 ? -1.974 10.866 10.316 1.00 84.17 3 A 1 ATOM 27 C CD2 . TRP A 1 3 ? -3.260 12.092 8.946 1.00 88.57 3 A 1 ATOM 28 N NE1 . TRP A 1 3 ? -3.110 10.136 10.017 1.00 81.58 3 A 1 ATOM 29 C CE2 . TRP A 1 3 ? -3.918 10.869 9.184 1.00 87.44 3 A 1 ATOM 30 C CE3 . TRP A 1 3 ? -3.875 13.036 8.119 1.00 81.87 3 A 1 ATOM 31 C CZ2 . TRP A 1 3 ? -5.159 10.570 8.612 1.00 84.77 3 A 1 ATOM 32 C CZ3 . TRP A 1 3 ? -5.112 12.741 7.549 1.00 79.21 3 A 1 ATOM 33 C CH2 . TRP A 1 3 ? -5.739 11.520 7.794 1.00 79.52 3 A 1 ATOM 34 N N . LEU A 1 4 ? 0.949 13.395 7.088 1.00 97.28 4 A 1 ATOM 35 C CA . LEU A 1 4 ? 1.042 13.298 5.629 1.00 97.35 4 A 1 ATOM 36 C C . LEU A 1 4 ? 1.982 12.171 5.215 1.00 97.65 4 A 1 ATOM 37 O O . LEU A 1 4 ? 1.688 11.413 4.291 1.00 97.22 4 A 1 ATOM 38 C CB . LEU A 1 4 ? 1.530 14.630 5.042 1.00 97.13 4 A 1 ATOM 39 C CG . LEU A 1 4 ? 0.518 15.770 5.145 1.00 92.21 4 A 1 ATOM 40 C CD1 . LEU A 1 4 ? 1.182 17.106 4.829 1.00 87.23 4 A 1 ATOM 41 C CD2 . LEU A 1 4 ? -0.654 15.542 4.197 1.00 87.39 4 A 1 ATOM 42 N N . ILE A 1 5 ? 3.106 12.052 5.894 1.00 97.87 5 A 1 ATOM 43 C CA . ILE A 1 5 ? 4.075 10.999 5.592 1.00 97.67 5 A 1 ATOM 44 C C . ILE A 1 5 ? 3.470 9.621 5.856 1.00 97.76 5 A 1 ATOM 45 O O . ILE A 1 5 ? 3.692 8.684 5.092 1.00 97.41 5 A 1 ATOM 46 C CB . ILE A 1 5 ? 5.368 11.183 6.407 1.00 97.21 5 A 1 ATOM 47 C CG1 . ILE A 1 5 ? 5.064 11.380 7.892 1.00 94.15 5 A 1 ATOM 48 C CG2 . ILE A 1 5 ? 6.164 12.366 5.857 1.00 92.99 5 A 1 ATOM 49 C CD1 . ILE A 1 5 ? 6.292 11.266 8.765 1.00 86.09 5 A 1 ATOM 50 N N . TRP A 1 6 ? 2.708 9.509 6.937 1.00 97.97 6 A 1 ATOM 51 C CA . TRP A 1 6 ? 2.057 8.251 7.275 1.00 97.74 6 A 1 ATOM 52 C C . TRP A 1 6 ? 1.055 7.862 6.199 1.00 98.03 6 A 1 ATOM 53 O O . TRP A 1 6 ? 0.973 6.698 5.803 1.00 97.81 6 A 1 ATOM 54 C CB . TRP A 1 6 ? 1.355 8.369 8.626 1.00 97.11 6 A 1 ATOM 55 C CG . TRP A 1 6 ? 0.477 7.195 8.922 1.00 93.64 6 A 1 ATOM 56 C CD1 . TRP A 1 6 ? -0.886 7.206 8.993 1.00 89.05 6 A 1 ATOM 57 C CD2 . TRP A 1 6 ? 0.876 5.833 9.154 1.00 91.50 6 A 1 ATOM 58 N NE1 . TRP A 1 6 ? -1.352 5.939 9.262 1.00 87.31 6 A 1 ATOM 59 C CE2 . TRP A 1 6 ? -0.293 5.067 9.366 1.00 91.55 6 A 1 ATOM 60 C CE3 . TRP A 1 6 ? 2.114 5.186 9.207 1.00 86.87 6 A 1 ATOM 61 C CZ2 . TRP A 1 6 ? -0.249 3.696 9.625 1.00 89.01 6 A 1 ATOM 62 C CZ3 . TRP A 1 6 ? 2.157 3.817 9.465 1.00 84.82 6 A 1 ATOM 63 C CH2 . TRP A 1 6 ? 0.980 3.082 9.671 1.00 85.19 6 A 1 ATOM 64 N N . THR A 1 7 ? 0.297 8.836 5.721 1.00 98.37 7 A 1 ATOM 65 C CA . THR A 1 7 ? -0.697 8.592 4.677 1.00 98.28 7 A 1 ATOM 66 C C . THR A 1 7 ? -0.017 8.127 3.391 1.00 98.46 7 A 1 ATOM 67 O O . THR A 1 7 ? -0.502 7.217 2.713 1.00 98.22 7 A 1 ATOM 68 C CB . THR A 1 7 ? -1.505 9.866 4.397 1.00 97.79 7 A 1 ATOM 69 O OG1 . THR A 1 7 ? -2.040 10.375 5.614 1.00 93.33 7 A 1 ATOM 70 C CG2 . THR A 1 7 ? -2.655 9.581 3.441 1.00 92.22 7 A 1 ATOM 71 N N . ALA A 1 8 ? 1.103 8.742 3.051 1.00 98.17 8 A 1 ATOM 72 C CA . ALA A 1 8 ? 1.845 8.386 1.846 1.00 98.25 8 A 1 ATOM 73 C C . ALA A 1 8 ? 2.353 6.950 1.929 1.00 98.41 8 A 1 ATOM 74 O O . ALA A 1 8 ? 2.253 6.188 0.966 1.00 98.16 8 A 1 ATOM 75 C CB . ALA A 1 8 ? 3.008 9.351 1.651 1.00 98.01 8 A 1 ATOM 76 N N . VAL A 1 9 ? 2.887 6.576 3.077 1.00 98.18 9 A 1 ATOM 77 C CA . VAL A 1 9 ? 3.394 5.219 3.287 1.00 98.18 9 A 1 ATOM 78 C C . VAL A 1 9 ? 2.254 4.213 3.215 1.00 98.33 9 A 1 ATOM 79 O O . VAL A 1 9 ? 2.408 3.126 2.653 1.00 98.08 9 A 1 ATOM 80 C CB . VAL A 1 9 ? 4.106 5.110 4.641 1.00 97.60 9 A 1 ATOM 81 C CG1 . VAL A 1 9 ? 4.530 3.675 4.912 1.00 95.31 9 A 1 ATOM 82 C CG2 . VAL A 1 9 ? 5.319 6.024 4.669 1.00 95.36 9 A 1 ATOM 83 N N . SER A 1 10 ? 1.123 4.574 3.775 1.00 98.21 10 A 1 ATOM 84 C CA . SER A 1 10 ? -0.051 3.705 3.770 1.00 98.15 10 A 1 ATOM 85 C C . SER A 1 10 ? -0.485 3.390 2.342 1.00 98.38 10 A 1 ATOM 86 O O . SER A 1 10 ? -0.854 2.259 2.027 1.00 98.15 10 A 1 ATOM 87 C CB . SER A 1 10 ? -1.195 4.379 4.523 1.00 97.53 10 A 1 ATOM 88 O OG . SER A 1 10 ? -2.282 3.502 4.661 1.00 85.68 10 A 1 ATOM 89 N N . THR A 1 11 ? -0.436 4.385 1.477 1.00 98.10 11 A 1 ATOM 90 C CA . THR A 1 11 ? -0.821 4.210 0.076 1.00 98.16 11 A 1 ATOM 91 C C . THR A 1 11 ? 0.121 3.231 -0.616 1.00 98.42 11 A 1 ATOM 92 O O . THR A 1 11 ? -0.314 2.355 -1.368 1.00 98.13 11 A 1 ATOM 93 C CB . THR A 1 11 ? -0.795 5.553 -0.666 1.00 97.70 11 A 1 ATOM 94 O OG1 . THR A 1 11 ? -1.571 6.510 0.046 1.00 92.04 11 A 1 ATOM 95 C CG2 . THR A 1 11 ? -1.367 5.406 -2.067 1.00 90.00 11 A 1 ATOM 96 N N . LEU A 1 12 ? 1.413 3.370 -0.369 1.00 98.05 12 A 1 ATOM 97 C CA . LEU A 1 12 ? 2.409 2.492 -0.976 1.00 98.07 12 A 1 ATOM 98 C C . LEU A 1 12 ? 2.238 1.060 -0.482 1.00 98.27 12 A 1 ATOM 99 O O . LEU A 1 12 ? 2.344 0.111 -1.260 1.00 98.07 12 A 1 ATOM 100 C CB . LEU A 1 12 ? 3.813 2.995 -0.642 1.00 97.80 12 A 1 ATOM 101 C CG . LEU A 1 12 ? 4.201 4.275 -1.377 1.00 92.85 12 A 1 ATOM 102 C CD1 . LEU A 1 12 ? 5.426 4.907 -0.733 1.00 88.87 12 A 1 ATOM 103 C CD2 . LEU A 1 12 ? 4.485 3.974 -2.845 1.00 89.63 12 A 1 ATOM 104 N N . VAL A 1 13 ? 1.978 0.912 0.797 1.00 98.47 13 A 1 ATOM 105 C CA . VAL A 1 13 ? 1.785 -0.408 1.393 1.00 98.40 13 A 1 ATOM 106 C C . VAL A 1 13 ? 0.557 -1.084 0.799 1.00 98.45 13 A 1 ATOM 107 O O . VAL A 1 13 ? 0.563 -2.289 0.537 1.00 98.25 13 A 1 ATOM 108 C CB . VAL A 1 13 ? 1.638 -0.298 2.917 1.00 98.07 13 A 1 ATOM 109 C CG1 . VAL A 1 13 ? 1.274 -1.648 3.522 1.00 96.52 13 A 1 ATOM 110 C CG2 . VAL A 1 13 ? 2.929 0.216 3.529 1.00 96.63 13 A 1 ATOM 111 N N . MET A 1 14 ? -0.489 -0.319 0.587 1.00 98.27 14 A 1 ATOM 112 C CA . MET A 1 14 ? -1.726 -0.854 0.022 1.00 98.17 14 A 1 ATOM 113 C C . MET A 1 14 ? -1.489 -1.380 -1.392 1.00 98.26 14 A 1 ATOM 114 O O . MET A 1 14 ? -1.964 -2.454 -1.758 1.00 97.92 14 A 1 ATOM 115 C CB . MET A 1 14 ? -2.804 0.232 0.010 1.00 97.83 14 A 1 ATOM 116 C CG . MET A 1 14 ? -4.194 -0.335 0.257 1.00 90.89 14 A 1 ATOM 117 S SD . MET A 1 14 ? -5.435 0.934 0.497 1.00 81.68 14 A 1 ATOM 118 C CE . MET A 1 14 ? -6.851 -0.073 0.923 1.00 73.36 14 A 1 ATOM 119 N N . LEU A 1 15 ? -0.746 -0.628 -2.178 1.00 98.17 15 A 1 ATOM 120 C CA . LEU A 1 15 ? -0.427 -1.031 -3.545 1.00 97.99 15 A 1 ATOM 121 C C . LEU A 1 15 ? 0.439 -2.281 -3.542 1.00 98.07 15 A 1 ATOM 122 O O . LEU A 1 15 ? 0.241 -3.189 -4.352 1.00 97.74 15 A 1 ATOM 123 C CB . LEU A 1 15 ? 0.300 0.109 -4.262 1.00 97.76 15 A 1 ATOM 124 C CG . LEU A 1 15 ? -0.599 1.292 -4.605 1.00 93.69 15 A 1 ATOM 125 C CD1 . LEU A 1 15 ? 0.240 2.508 -4.967 1.00 90.67 15 A 1 ATOM 126 C CD2 . LEU A 1 15 ? -1.521 0.937 -5.762 1.00 91.29 15 A 1 ATOM 127 N N . LEU A 1 16 ? 1.394 -2.328 -2.641 1.00 97.94 16 A 1 ATOM 128 C CA . LEU A 1 16 ? 2.285 -3.477 -2.523 1.00 97.70 16 A 1 ATOM 129 C C . LEU A 1 16 ? 1.505 -4.723 -2.127 1.00 97.73 16 A 1 ATOM 130 O O . LEU A 1 16 ? 1.740 -5.806 -2.661 1.00 97.32 16 A 1 ATOM 131 C CB . LEU A 1 16 ? 3.369 -3.188 -1.483 1.00 97.40 16 A 1 ATOM 132 C CG . LEU A 1 16 ? 4.468 -4.249 -1.425 1.00 92.88 16 A 1 ATOM 133 C CD1 . LEU A 1 16 ? 5.340 -4.185 -2.672 1.00 89.32 16 A 1 ATOM 134 C CD2 . LEU A 1 16 ? 5.322 -4.055 -0.180 1.00 89.66 16 A 1 ATOM 135 N N . ALA A 1 17 ? 0.584 -4.570 -1.201 1.00 98.03 17 A 1 ATOM 136 C CA . ALA A 1 17 ? -0.232 -5.688 -0.737 1.00 97.88 17 A 1 ATOM 137 C C . ALA A 1 17 ? -1.087 -6.238 -1.869 1.00 97.94 17 A 1 ATOM 138 O O . ALA A 1 17 ? -1.238 -7.450 -2.017 1.00 97.32 17 A 1 ATOM 139 C CB . ALA A 1 17 ? -1.116 -5.236 0.420 1.00 97.50 17 A 1 ATOM 140 N N . MET A 1 18 ? -1.646 -5.351 -2.678 1.00 97.69 18 A 1 ATOM 141 C CA . MET A 1 18 ? -2.481 -5.753 -3.808 1.00 97.27 18 A 1 ATOM 142 C C . MET A 1 18 ? -1.655 -6.522 -4.836 1.00 97.29 18 A 1 ATOM 143 O O . MET A 1 18 ? -2.109 -7.517 -5.398 1.00 96.38 18 A 1 ATOM 144 C CB . MET A 1 18 ? -3.108 -4.517 -4.449 1.00 96.42 18 A 1 ATOM 145 C CG . MET A 1 18 ? -4.503 -4.790 -4.982 1.00 90.69 18 A 1 ATOM 146 S SD . MET A 1 18 ? -5.370 -3.281 -5.399 1.00 80.96 18 A 1 ATOM 147 C CE . MET A 1 18 ? -7.013 -3.920 -5.677 1.00 70.92 18 A 1 ATOM 148 N N . THR A 1 19 ? -0.440 -6.063 -5.070 1.00 97.60 19 A 1 ATOM 149 C CA . THR A 1 19 ? 0.457 -6.718 -6.019 1.00 97.41 19 A 1 ATOM 150 C C . THR A 1 19 ? 0.877 -8.088 -5.504 1.00 97.36 19 A 1 ATOM 151 O O . THR A 1 19 ? 0.991 -9.042 -6.271 1.00 96.26 19 A 1 ATOM 152 C CB . THR A 1 19 ? 1.699 -5.859 -6.264 1.00 96.44 19 A 1 ATOM 153 O OG1 . THR A 1 19 ? 1.298 -4.536 -6.602 1.00 89.67 19 A 1 ATOM 154 C CG2 . THR A 1 19 ? 2.529 -6.429 -7.396 1.00 86.94 19 A 1 ATOM 155 N N . GLU A 1 20 ? 1.111 -8.183 -4.206 1.00 97.62 20 A 1 ATOM 156 C CA . GLU A 1 20 ? 1.510 -9.444 -3.581 1.00 97.55 20 A 1 ATOM 157 C C . GLU A 1 20 ? 0.436 -10.505 -3.756 1.00 97.37 20 A 1 ATOM 158 O O . GLU A 1 20 ? 0.730 -11.651 -4.103 1.00 96.33 20 A 1 ATOM 159 C CB . GLU A 1 20 ? 1.779 -9.226 -2.090 1.00 96.83 20 A 1 ATOM 160 C CG . GLU A 1 20 ? 3.259 -9.117 -1.781 1.00 85.77 20 A 1 ATOM 161 C CD . GLU A 1 20 ? 3.840 -10.475 -1.430 1.00 79.59 20 A 1 ATOM 162 O OE1 . GLU A 1 20 ? 3.387 -11.071 -0.440 1.00 73.34 20 A 1 ATOM 163 O OE2 . GLU A 1 20 ? 4.745 -10.934 -2.148 1.00 76.06 20 A 1 ATOM 164 N N . VAL A 1 21 ? -0.805 -10.130 -3.528 1.00 97.55 21 A 1 ATOM 165 C CA . VAL A 1 21 ? -1.926 -11.059 -3.667 1.00 97.11 21 A 1 ATOM 166 C C . VAL A 1 21 ? -2.125 -11.449 -5.127 1.00 96.94 21 A 1 ATOM 167 O O . VAL A 1 21 ? -2.422 -12.606 -5.436 1.00 95.35 21 A 1 ATOM 168 C CB . VAL A 1 21 ? -3.219 -10.442 -3.109 1.00 95.89 21 A 1 ATOM 169 C CG1 . VAL A 1 21 ? -4.392 -11.391 -3.308 1.00 91.69 21 A 1 ATOM 170 C CG2 . VAL A 1 21 ? -3.058 -10.124 -1.633 1.00 92.07 21 A 1 ATOM 171 N N . SER A 1 22 ? -1.973 -10.496 -6.024 1.00 95.47 22 A 1 ATOM 172 C CA . SER A 1 22 ? -2.148 -10.745 -7.452 1.00 94.64 22 A 1 ATOM 173 C C . SER A 1 22 ? -1.007 -11.589 -8.012 1.00 93.23 22 A 1 ATOM 174 O O . SER A 1 22 ? -1.219 -12.457 -8.861 1.00 90.55 22 A 1 ATOM 175 C CB . SER A 1 22 ? -2.228 -9.423 -8.209 1.00 92.94 22 A 1 ATOM 176 O OG . SER A 1 22 ? -2.560 -9.651 -9.561 1.00 79.21 22 A 1 ATOM 177 N N . ALA A 1 23 ? 0.206 -11.337 -7.542 1.00 93.84 23 A 1 ATOM 178 C CA . ALA A 1 23 ? 1.387 -12.066 -8.005 1.00 92.17 23 A 1 ATOM 179 C C . ALA A 1 23 ? 1.341 -13.527 -7.589 1.00 90.21 23 A 1 ATOM 180 O O . ALA A 1 23 ? 1.637 -14.423 -8.376 1.00 86.12 23 A 1 ATOM 181 C CB . ALA A 1 23 ? 2.654 -11.415 -7.469 1.00 90.02 23 A 1 ATOM 182 N N . SER A 1 24 ? 0.979 -13.766 -6.336 1.00 89.82 24 A 1 ATOM 183 C CA . SER A 1 24 ? 0.926 -15.120 -5.807 1.00 88.02 24 A 1 ATOM 184 C C . SER A 1 24 ? -0.374 -15.830 -6.162 1.00 83.35 24 A 1 ATOM 185 O O . SER A 1 24 ? -1.363 -15.160 -6.491 1.00 75.47 24 A 1 ATOM 186 C CB . SER A 1 24 ? 1.114 -15.116 -4.290 1.00 82.63 24 A 1 ATOM 187 O OG . SER A 1 24 ? 1.336 -16.431 -3.815 1.00 76.04 24 A 1 ATOM 188 O OXT . SER A 1 24 ? -0.419 -17.060 -6.087 1.00 75.72 24 A 1 #